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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 4-guanidinobutyl ester, sulfate (2:1)
RN: 75231-23-1
InChIKey: JDLCXQSARZXHHD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N3-O5.1/2H2-O4-S

Molecular Weight

  • 748.803
 
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Names and Synonyms

Synonym

  • 3,4,5-Trimethoxybenzoic acid 4-guanidinobutyl ester sulfate (2:1)

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 4-guanidinobutyl ester, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 75231-23-1

System Generated Number

  • 0075231231

Molecular Formulas

Molecular Formula

  • C15-H23-N3-O5.1/2H2-O4-S

Molecular Formula Fragments

  • C15-H23-N3-O5
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C15H23N3O5.H2O4S/c2*1-20-11-8-10(9-12(21-2)13(11)22-3)14(19)23-7-5-4-6-18-15(16)17;1-5(2,3)4/h2*8-9H,4-7H2,1-3H3,(H4,16,17,18);(H2,1,2,3,4)

InChIKey

JDLCXQSARZXHHD-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OCCCCNC(N)=[NH+])=O)cc1OC)OC)OC.c1(c(cc(C(OCCCCNC(N)=[NH+])=O)cc1OC)OC)OC.S(=O)(=O)([O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 245mg/kg (245mg/kg)   Asian Journal of Pharmaceutical Sciences. Vol. 1, Pg. 91, 1979.